SCHEMBL7362034

SCHEMBL7362034

COc1ccc(C2CCC(=O)C2)cc1OC1CCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 18/20 1.00
PDE4A P27815 11/20 1.00
PDE4C Q08493 9/20 1.00
PDE4D Q08499 9/20 1.00
CYP3A4 P08684 2/20 0.66
VEGFA P15692 1/20 0.66
ALDH1A1 P00352 1/20 0.66
LMNA P02545 1/20 0.66
CYP1A2 P05177 1/20 0.66
MAPT P10636 1/20 0.66
CYP2C9 P11712 1/20 0.66
ALOX15 P16050 1/20 0.66
CREBBP Q92793 1/20 0.66
KDM4E B2RXH2 1/20 0.66
PDE5A O76074 1/20 0.66
TNF P01375 1/20 0.66
MAPK1 P28482 1/20 0.66
BLM P54132 1/20 0.66
PDE1A P54750 1/20 0.66
PDE1B Q01064 1/20 0.66

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13588637 1.00 PDE4B (1.00) PDE4BPDE4APDE4CPDE4DCYP3A4
SCHEMBL13588642 1.00 PDE4B (1.00) PDE4BPDE4APDE4CPDE4DCYP3A4
SCHEMBL7052450 0.83 PDE4A (0.71) PDE4BPDE4APDE4CPDE4DCYP3A4
SCHEMBL14045898 0.83 PDE4A (0.71) PDE4BPDE4APDE4CPDE4DCYP3A4
SCHEMBL9167416 0.83 PDE4B (0.78) PDE4BPDE4APDE4CPDE4DCYP3A4
SCHEMBL30822622 0.82 PDE4A (0.82) PDE4BPDE4APDE4CPDE4DCYP3A4
SCHEMBL19248302 0.82 PDE4A (0.82) PDE4BPDE4APDE4CPDE4DCYP3A4
SCHEMBL25724194 0.82 PDE4A (0.82) PDE4BPDE4APDE4CPDE4DCYP3A4
SCHEMBL9062953 0.82 PDE4B (0.76) PDE4BPDE4APDE4CPDE4DCYP3A4
SCHEMBL3173894 0.82 PDE4B (0.77) PDE4BPDE4APDE4CPDE4DCYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5362915-A Inhibitors of enzymes/hydrolases; antiallergens, antiinflammatory agents SMITHKLINE BEECHAM PHARMA GMBH (DE) 1994-11-08 US claimed
EP-0523138-A1 NOVEL DERIVATIVES OF PHENYL-CYCLOALKANES AND -CYCLOALKENES SMITHKLINE BEECHAM PHARMA GmbH (DE) 1993-01-20 EP claimed
WO-1991015451-A1 NOVEL DERIVATIVES OF PHENYL-CYCLOALKANES AND -CYCLOALKENES SMITHKLINE BEECHAM PHARMA GMBH (DE) 1991-10-17 WO claimed
US-20090298864-A1 Methods for Treating Mild Cognitive Impairment THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2009-12-03 US disclosed
US-7459479-B2 Benzylated PDE4 inhibitors BIOLIPOX AB (SE) 2008-12-02 US disclosed
US-7446129-B2 Benzylated PDE4 inhibitors BIOLIPOX AB (DE) 2008-11-04 US disclosed
US-20070208181-A1 BENZYLATED PDE4 INHIBITORS INFLAZYME PHARMACEUTICALS LTD. (CA) 2007-09-06 US disclosed
EP-0642489-A1 CYCLOPENTANE AND CYCLOPENTENE DERIVATIVES WITH ANTIALLERGIC ANTIINFLAMMATORY AND TUMOR NECROSIS FACTOR INHIBITING ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 1995-03-15 EP disclosed
US-5362915-A Inhibitors of enzymes/hydrolases; antiallergens, antiinflammatory agents SMITHKLINE BEECHAM PHARMA GMBH (DE) 1994-11-08 US disclosed
WO-1993007111-A1 CYCLOPENTANE AND CYCLOPENTENE DERIVATIVES WITH ANTIALLERGIC ANTIINFLAMMATORY AND TUMOR NECROSIS FACTOR INHIBITING ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 1993-04-15 WO disclosed
EP-0523138-A1 NOVEL DERIVATIVES OF PHENYL-CYCLOALKANES AND -CYCLOALKENES SMITHKLINE BEECHAM PHARMA GmbH (DE) 1993-01-20 EP disclosed
WO-1991015451-A1 NOVEL DERIVATIVES OF PHENYL-CYCLOALKANES AND -CYCLOALKENES SMITHKLINE BEECHAM PHARMA GMBH (DE) 1991-10-17 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090298864-A1 Methods for Treating Mild Cognitive Impairment CHAT, PSEN2, PSEN1 PDE4B 335/4885PDE4A 282/4885PDE4C 402/4885
US-20070208181-A1 BENZYLATED PDE4 INHIBITORS PDE4B, PDE4A, PDE3B PDE4B 1/4885PDE4A 2/4885PDE4C 4/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.